SCHEMBL2074764

SCHEMBL2074764

CCN1CCN(S(=O)(=O)c2ccc(B(O)O)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
ALDH1A1 P00352 2/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.51
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
HTR6 P50406 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL477530 0.83 POLB (0.67) POLBALDH1A1HTTLMNATSHR
SCHEMBL685172 0.82 POLB (0.67) POLBALDH1A1CYP2D6MAPTLMNA
SCHEMBL13777923 0.81 POLB (0.69) POLBALDH1A1CYP2D6HTTLMNA
SCHEMBL289460 0.80 USP2 (0.62) POLBALDH1A1MAPTHTTLMNA
SCHEMBL959386 0.80 USP2 (0.68) POLBALDH1A1MAPTHTTLMNA
SCHEMBL5249470 0.80 POLB (0.68) POLBALDH1A1CYP2D6MAPTHTT
SCHEMBL3999295 0.80 POLB (0.68) POLBALDH1A1CYP2D6MAPTHTT
SCHEMBL2375584 0.80 POLB (0.68) POLBALDH1A1CYP2D6MAPTHTT
SCHEMBL1742543 0.79 USP2 (0.71) POLBALDH1A1MAPTHTTLMNA
SCHEMBL6034889 0.79 KMT2A (0.59) ALDH1A1MAPTLMNAPKMGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 WO disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP disclosed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R POLB 2456/4885ALDH1A1 1620/4885CYP2D6 424/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R POLB 2456/4885ALDH1A1 1620/4885CYP2D6 424/4885
US-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 POLB 3202/4885ALDH1A1 1906/4885CYP2D6 799/4885
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL POLB 2675/4885ALDH1A1 2625/4885CYP2D6 501/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.